4-[4-[5-(2,5-dioxoimidazolidin-1-yl)pentyl]phenyl]sulfonyloxane-4-carboxamide

C20H27N3O6S — CID 142895819

IUPAC4-[4-[5-(2,5-dioxoimidazolidin-1-yl)pentyl]phenyl]sulfonyloxane-4-carboxamide
SMILESNC(=O)C1(S(=O)(=O)c2ccc(CCCCCN3C(=O)CNC3=O)cc2)CCOCC1
InChIInChI=1S/C20H27N3O6S/c21-18(25)20(9-12-29-13-10-20)30(27,28)16-7-5-15(6-8-16)4-2-1-3-11-23-17(24)14-22-19(23)26/h5-8H,1-4,9-14H2,(H2,21,25)(H,22,26)
InChIKeyDERFOHNLCRGCRM-UHFFFAOYSA-N
MW437.52 g/mol
LogP0.76
Rot. Bonds9

About 4-[4-[5-(2,5-dioxoimidazolidin-1-yl)pentyl]phenyl]sulfonyloxane-4-carboxamide

4-[4-[5-(2,5-dioxoimidazolidin-1-yl)pentyl]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 142895819) has the molecular formula C20H27N3O6S and a molecular weight of 437.52 g/mol. Its IUPAC name is 4-[4-[5-(2,5-dioxoimidazolidin-1-yl)pentyl]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-[5-(2,5-dioxoimidazolidin-1-yl)pentyl]phenyl]sulfonyloxane-4-carboxamide
PubChem CID142895819
Molecular FormulaC20H27N3O6S
Molecular Weight437.52 g/mol
Exact Mass437.16
IUPAC Name4-[4-[5-(2,5-dioxoimidazolidin-1-yl)pentyl]phenyl]sulfonyloxane-4-carboxamide
SMILESNC(=O)C1(S(=O)(=O)c2ccc(CCCCCN3C(=O)CNC3=O)cc2)CCOCC1
InChIInChI=1S/C20H27N3O6S/c21-18(25)20(9-12-29-13-10-20)30(27,28)16-7-5-15(6-8-16)4-2-1-3-11-23-17(24)14-22-19(23)26/h5-8H,1-4,9-14H2,(H2,21,25)(H,22,26)
InChIKeyDERFOHNLCRGCRM-UHFFFAOYSA-N
XLogP0.76
TPSA135.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

4-[4-[3-(3-methylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 142186365
N-hydroxy-4-[4-[4-(4-methoxyphenyl)butyl]phenyl]sulfonyloxane-4-carboxamide
CID 20620689
4-[4-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]phenyl]sulfonyloxane-4-carboxamide
CID 142186437
methyl 4-[4-(4-carbamoyloxan-4-yl)sulfonyl-N-methylanilino]butanoate
CID 142186094
4-[4-[3-[2,5-dioxo-3-[3-(trifluoromethoxy)phenyl]imidazolidin-1-yl]propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 142895678
N-hydroxy-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620571
N-hydroxy-4-[4-(4-propylphenyl)phenyl]sulfonyloxane-4-carboxamide
CID 58623187
4-[4-[3-(2,5-dioxo-3-phenylimidazolidin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620402
4-[4-[4-oxo-4-(4-propan-2-ylanilino)butoxy]phenyl]sulfonyloxane-4-carboxamide
CID 142895617
4-[4-[3-(3-ethyl-5-methylpiperidin-1-yl)sulfonylpropoxy]phenyl]sulfonyloxane-4-carboxamide
CID 142185907
4-[4-[4-(3-methylanilino)-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide
CID 142186036
4-[4-[3-[(3,3,3-trifluoro-2,2-dimethylpropanoyl)amino]propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 142185883

Frequently Asked Questions

What is the IUPAC name of 4-[4-[5-(2,5-dioxoimidazolidin-1-yl)pentyl]phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of 4-[4-[5-(2,5-dioxoimidazolidin-1-yl)pentyl]phenyl]sulfonyloxane-4-carboxamide (CID 142895819) is 4-[4-[5-(2,5-dioxoimidazolidin-1-yl)pentyl]phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for 4-[4-[5-(2,5-dioxoimidazolidin-1-yl)pentyl]phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for 4-[4-[5-(2,5-dioxoimidazolidin-1-yl)pentyl]phenyl]sulfonyloxane-4-carboxamide is NC(=O)C1(S(=O)(=O)c2ccc(CCCCCN3C(=O)CNC3=O)cc2)CCOCC1.
What is the InChIKey of 4-[4-[5-(2,5-dioxoimidazolidin-1-yl)pentyl]phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is DERFOHNLCRGCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O6S/c21-18(25)20(9-12-29-13-10-20)30(27,28)16-7-5-15(6-8-16)4-2-1-3-11-23-17(24)14-22-19(23)26/h5-8H,1-4,9-14H2,(H2,21,25)(H,22,26).
What are the key properties of 4-[4-[5-(2,5-dioxoimidazolidin-1-yl)pentyl]phenyl]sulfonyloxane-4-carboxamide?
4-[4-[5-(2,5-dioxoimidazolidin-1-yl)pentyl]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 437.52 g/mol, XLogP of 0.76, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[5-(2,5-dioxoimidazolidin-1-yl)pentyl]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 142895819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).